propyl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propyl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[(1-oxohexylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(caproylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C16H27N3O4S MolecularWeight: 357.46828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC

Isomeric SMILES

CCCCCC(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCCC

InChI

InChI=1S/C16H27N3O4S/c1-3-5-6-7-13(20)18-16(24)19-9-8-17-15(22)12(19)11-14(21)23-10-4-2/h12H,3-11H2,1-2H3,(H,17,22)(H,18,20,24)/t12-/m0/s1